1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one

C11H18NO2+ — CID 59396030

IUPAC1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)C[CH2+]
InChIInChI=1S/C11H18NO2/c1-5-7-9-8-14-11(3,4)12(9)10(13)6-2/h5,9H,1-2,6-8H2,3-4H3/q+1/t9-/m0/s1
InChIKeyFAFWFRVBKTZYML-VIFPVBQESA-N
MW196.27 g/mol
LogP1.75
Rot. Bonds3

About 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one

1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one (PubChem CID 59396030) has the molecular formula C11H18NO2+ and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
PubChem CID59396030
Molecular FormulaC11H18NO2+
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
SMILESC=CC[C@H]1COC(C)(C)N1C(=O)C[CH2+]
InChIInChI=1S/C11H18NO2/c1-5-7-9-8-14-11(3,4)12(9)10(13)6-2/h5,9H,1-2,6-8H2,3-4H3/q+1/t9-/m0/s1
InChIKeyFAFWFRVBKTZYML-VIFPVBQESA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl-(4S)-4-(1-fluoroprop-2-en-1-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 57801768
(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
tert-butyl (4S)-4-[(2S)-but-3-en-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 23631407
methyl (2R,4R,5R)-2-tert-butyl-5-methyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 135040870
Tert-butyl(4s,5s)-4-allyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 58297727
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one
CID 59396003
[2-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]-2-oxoethyl]azanium
CID 59396010
2-amino-1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]ethanone
CID 59396011
1-(4,4-Dimethyl-2-prop-2-enyl-1,3-oxazolidin-3-yl)ethanone
CID 69535514
1-(2-Prop-2-enyl-1,3-oxazolidin-3-yl)ethanone
CID 69535516
[2-(2,2-Dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)-2-oxoethyl]azanium
CID 72287424
2-Amino-1-(2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl)ethanone
CID 72287425

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one (CID 59396030) is 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one is C=CC[C@H]1COC(C)(C)N1C(=O)C[CH2+].
What is the InChIKey of 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one?
The InChIKey is FAFWFRVBKTZYML-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18NO2/c1-5-7-9-8-14-11(3,4)12(9)10(13)6-2/h5,9H,1-2,6-8H2,3-4H3/q+1/t9-/m0/s1.
What are the key properties of 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one?
1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one has a molecular weight of 196.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidin-3-yl]propan-1-one is sourced from PubChem (CID 59396030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).